N,N-diphenylbenzenesulfonamide

C18H15NO2S — CID 597830

IUPACN,N-diphenylbenzenesulfonamide
SMILESO=S(=O)(c1ccccc1)N(c1ccccc1)c1ccccc1
InChIInChI=1S/C18H15NO2S/c20-22(21,18-14-8-3-9-15-18)19(16-10-4-1-5-11-16)17-12-6-2-7-13-17/h1-15H
InChIKeyQISRUVSLDWSMST-UHFFFAOYSA-N
MW309.39 g/mol
LogP4.21
Rot. Bonds4

About N,N-diphenylbenzenesulfonamide

N,N-diphenylbenzenesulfonamide (PubChem CID 597830) has the molecular formula C18H15NO2S and a molecular weight of 309.39 g/mol. Its IUPAC name is N,N-diphenylbenzenesulfonamide.

Molecular Properties

Compound NameN,N-diphenylbenzenesulfonamide
PubChem CID597830
Molecular FormulaC18H15NO2S
Molecular Weight309.39 g/mol
Exact Mass309.08
IUPAC NameN,N-diphenylbenzenesulfonamide
SMILESO=S(=O)(c1ccccc1)N(c1ccccc1)c1ccccc1
InChIInChI=1S/C18H15NO2S/c20-22(21,18-14-8-3-9-15-18)19(16-10-4-1-5-11-16)17-12-6-2-7-13-17/h1-15H
InChIKeyQISRUVSLDWSMST-UHFFFAOYSA-N
XLogP4.21
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.39
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Diphenylamine-4-sulfonic acid
CID 66866
Sodium diphenylamine-4-sulfonate
CID 517002
N-Phenyl-P-toluenesulfonanilide
CID 316053
Metanil yellow
CID 3935589
Tropaeolin OO
CID 23668839
Phenyltrimethylammonium benzenesulfonate
CID 85279
Mls002704049
CID 268199
N-(3-fluorobenzyl)-N-phenylbenzenesulfonamide
CID 2853015
Benzenesulfonamide, N-methyl-N-phenyl-
CID 135963
N-(4-Piperidin-1-yl-phenyl)-benzenesulfonamide
CID 735886
N-(4-anilinophenyl)-4-fluorobenzenesulfonamide
CID 897399
1-Phenyl-4-(phenylsulfonyl)piperazine
CID 258873

Frequently Asked Questions

What is the IUPAC name of N,N-diphenylbenzenesulfonamide?
The IUPAC name of N,N-diphenylbenzenesulfonamide (CID 597830) is N,N-diphenylbenzenesulfonamide.
What is the SMILES notation for N,N-diphenylbenzenesulfonamide?
The canonical SMILES for N,N-diphenylbenzenesulfonamide is O=S(=O)(c1ccccc1)N(c1ccccc1)c1ccccc1.
What is the InChIKey of N,N-diphenylbenzenesulfonamide?
The InChIKey is QISRUVSLDWSMST-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NO2S/c20-22(21,18-14-8-3-9-15-18)19(16-10-4-1-5-11-16)17-12-6-2-7-13-17/h1-15H.
What are the key properties of N,N-diphenylbenzenesulfonamide?
N,N-diphenylbenzenesulfonamide has a molecular weight of 309.39 g/mol, XLogP of 4.21, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diphenylbenzenesulfonamide is sourced from PubChem (CID 597830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).